# By using this file you agree to the legally binding terms of use found at # https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. # To request access to the AlphaFold 3 model parameters, follow the process set # out at https://github.com/google-deepmind/alphafold3. You may only use these if # received directly from Google. Use is subject to terms of use available at # https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. data_spkb30787 # _entry.id spkb30787 # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n TRP 2 1 n LEU 3 1 n PRO 4 1 n LEU 5 1 n VAL 6 1 n LEU 7 1 n PHE 8 1 n LEU 9 1 n ALA 10 1 n VAL 11 1 n LEU 12 1 n LEU 13 1 n LEU 14 1 n ALA 15 1 n VAL 16 1 n VAL 17 1 n CYS 18 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.0 @ 2025-07-12 10:54:16)" _ma_model_list.model_id 1 _ma_model_list.model_name "Top ranked model" _ma_model_list.model_type "Ab initio model" _ma_model_list.ordinal_id 1 # loop_ _ma_protocol_step.method_type _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id "coevolution MSA" 1 1 1 "template search" 2 1 2 modeling 3 1 3 # loop_ _ma_qa_metric.id _ma_qa_metric.mode _ma_qa_metric.name _ma_qa_metric.software_group_id _ma_qa_metric.type 1 global pLDDT 1 pLDDT 2 local pLDDT 1 pLDDT # _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 96.11 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.ordinal_id 1 # loop_ _ma_qa_metric_local.label_asym_id _ma_qa_metric_local.label_comp_id _ma_qa_metric_local.label_seq_id _ma_qa_metric_local.metric_id _ma_qa_metric_local.metric_value _ma_qa_metric_local.model_id _ma_qa_metric_local.ordinal_id A MET 1 2 89.74 1 1 A TRP 2 2 91.74 1 2 A LEU 3 2 96.05 1 3 A PRO 4 2 97.84 1 4 A LEU 5 2 96.56 1 5 A VAL 6 2 98.17 1 6 A LEU 7 2 97.20 1 7 A PHE 8 2 97.01 1 8 A LEU 9 2 96.62 1 9 A ALA 10 2 98.61 1 10 A VAL 11 2 98.38 1 11 A LEU 12 2 97.41 1 12 A LEU 13 2 97.19 1 13 A LEU 14 2 97.32 1 14 A ALA 15 2 98.67 1 15 A VAL 16 2 97.96 1 16 A VAL 17 2 96.91 1 17 A CYS 18 2 91.99 1 18 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # _ma_target_entity.data_id 1 _ma_target_entity.entity_id 1 _ma_target_entity.origin . # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.details . _ma_target_entity_instance.entity_id 1 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;Non-commercial use only, by using this file you agree to the terms of use found at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use shall not infringe the rights of any third party. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n TRP . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n PRO . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n CYS . 18 A 18 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (9ceee3b5f7825b611ab42eaad843248507ced2da1e745fa3b3d93c6c4ad3ca74)" # _struct_asym.entity_id 1 _struct_asym.id A # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 1 1 ? -10.193 -3.001 9.364 1.00 94.85 1 A 1 ATOM 2 C CA . MET A 1 1 ? -8.764 -2.855 9.672 1.00 95.02 1 A 1 ATOM 3 C C . MET A 1 1 ? -7.948 -2.685 8.385 1.00 95.91 1 A 1 ATOM 4 O O . MET A 1 1 ? -7.115 -3.515 8.042 1.00 94.92 1 A 1 ATOM 5 C CB . MET A 1 1 ? -8.293 -4.080 10.453 1.00 91.97 1 A 1 ATOM 6 C CG . MET A 1 1 ? -7.374 -3.712 11.601 1.00 86.90 1 A 1 ATOM 7 S SD . MET A 1 1 ? -7.013 -5.142 12.621 1.00 83.69 1 A 1 ATOM 8 C CE . MET A 1 1 ? -6.107 -4.363 13.947 1.00 74.65 1 A 1 ATOM 9 N N . TRP A 1 2 ? -8.209 -1.596 7.675 1.00 95.90 2 A 1 ATOM 10 C CA . TRP A 1 2 ? -7.549 -1.319 6.399 1.00 96.67 2 A 1 ATOM 11 C C . TRP A 1 2 ? -6.596 -0.124 6.499 1.00 97.47 2 A 1 ATOM 12 O O . TRP A 1 2 ? -5.972 0.258 5.514 1.00 96.70 2 A 1 ATOM 13 C CB . TRP A 1 2 ? -8.621 -1.070 5.332 1.00 95.78 2 A 1 ATOM 14 C CG . TRP A 1 2 ? -9.883 -0.472 5.888 1.00 93.46 2 A 1 ATOM 15 C CD1 . TRP A 1 2 ? -10.785 -1.090 6.690 1.00 90.76 2 A 1 ATOM 16 C CD2 . TRP A 1 2 ? -10.390 0.858 5.681 1.00 91.89 2 A 1 ATOM 17 N NE1 . TRP A 1 2 ? -11.817 -0.228 7.004 1.00 88.18 2 A 1 ATOM 18 C CE2 . TRP A 1 2 ? -11.601 0.981 6.388 1.00 89.49 2 A 1 ATOM 19 C CE3 . TRP A 1 2 ? -9.930 1.962 4.949 1.00 87.62 2 A 1 ATOM 20 C CZ2 . TRP A 1 2 ? -12.352 2.161 6.390 1.00 88.89 2 A 1 ATOM 21 C CZ3 . TRP A 1 2 ? -10.675 3.133 4.948 1.00 86.04 2 A 1 ATOM 22 C CH2 . TRP A 1 2 ? -11.871 3.229 5.664 1.00 85.50 2 A 1 ATOM 23 N N . LEU A 1 3 ? -6.482 0.448 7.675 1.00 97.87 3 A 1 ATOM 24 C CA . LEU A 1 3 ? -5.600 1.598 7.891 1.00 97.90 3 A 1 ATOM 25 C C . LEU A 1 3 ? -4.130 1.240 7.649 1.00 98.24 3 A 1 ATOM 26 O O . LEU A 1 3 ? -3.437 1.932 6.900 1.00 98.03 3 A 1 ATOM 27 C CB . LEU A 1 3 ? -5.799 2.140 9.320 1.00 97.46 3 A 1 ATOM 28 C CG . LEU A 1 3 ? -6.719 3.359 9.407 1.00 94.74 3 A 1 ATOM 29 C CD1 . LEU A 1 3 ? -6.079 4.554 8.742 1.00 92.46 3 A 1 ATOM 30 C CD2 . LEU A 1 3 ? -8.069 3.050 8.773 1.00 91.74 3 A 1 ATOM 31 N N . PRO A 1 4 ? -3.640 0.181 8.281 1.00 98.28 4 A 1 ATOM 32 C CA . PRO A 1 4 ? -2.234 -0.210 8.089 1.00 98.25 4 A 1 ATOM 33 C C . PRO A 1 4 ? -1.934 -0.650 6.661 1.00 98.49 4 A 1 ATOM 34 O O . PRO A 1 4 ? -0.850 -0.382 6.137 1.00 98.27 4 A 1 ATOM 35 C CB . PRO A 1 4 ? -2.047 -1.375 9.072 1.00 97.54 4 A 1 ATOM 36 C CG . PRO A 1 4 ? -3.416 -1.920 9.286 1.00 96.37 4 A 1 ATOM 37 C CD . PRO A 1 4 ? -4.345 -0.746 9.190 1.00 97.68 4 A 1 ATOM 38 N N . LEU A 1 5 ? -2.892 -1.316 6.029 1.00 98.50 5 A 1 ATOM 39 C CA . LEU A 1 5 ? -2.711 -1.779 4.654 1.00 98.48 5 A 1 ATOM 40 C C . LEU A 1 5 ? -2.604 -0.597 3.693 1.00 98.63 5 A 1 ATOM 41 O O . LEU A 1 5 ? -1.729 -0.566 2.824 1.00 98.52 5 A 1 ATOM 42 C CB . LEU A 1 5 ? -3.887 -2.678 4.257 1.00 98.25 5 A 1 ATOM 43 C CG . LEU A 1 5 ? -3.737 -4.124 4.728 1.00 94.43 5 A 1 ATOM 44 C CD1 . LEU A 1 5 ? -5.088 -4.813 4.771 1.00 92.51 5 A 1 ATOM 45 C CD2 . LEU A 1 5 ? -2.797 -4.877 3.787 1.00 93.20 5 A 1 ATOM 46 N N . VAL A 1 6 ? -3.492 0.358 3.851 1.00 98.62 6 A 1 ATOM 47 C CA . VAL A 1 6 ? -3.491 1.547 2.997 1.00 98.60 6 A 1 ATOM 48 C C . VAL A 1 6 ? -2.211 2.356 3.200 1.00 98.66 6 A 1 ATOM 49 O O . VAL A 1 6 ? -1.610 2.841 2.237 1.00 98.52 6 A 1 ATOM 50 C CB . VAL A 1 6 ? -4.722 2.421 3.290 1.00 98.37 6 A 1 ATOM 51 C CG1 . VAL A 1 6 ? -4.676 3.708 2.481 1.00 97.34 6 A 1 ATOM 52 C CG2 . VAL A 1 6 ? -5.994 1.649 2.965 1.00 97.10 6 A 1 ATOM 53 N N . LEU A 1 7 ? -1.807 2.506 4.443 1.00 98.47 7 A 1 ATOM 54 C CA . LEU A 1 7 ? -0.593 3.257 4.762 1.00 98.48 7 A 1 ATOM 55 C C . LEU A 1 7 ? 0.636 2.586 4.159 1.00 98.57 7 A 1 ATOM 56 O O . LEU A 1 7 ? 1.485 3.247 3.557 1.00 98.50 7 A 1 ATOM 57 C CB . LEU A 1 7 ? -0.440 3.365 6.280 1.00 98.34 7 A 1 ATOM 58 C CG . LEU A 1 7 ? -0.836 4.734 6.826 1.00 95.83 7 A 1 ATOM 59 C CD1 . LEU A 1 7 ? -1.138 4.646 8.316 1.00 94.49 7 A 1 ATOM 60 C CD2 . LEU A 1 7 ? 0.284 5.730 6.578 1.00 94.89 7 A 1 ATOM 61 N N . PHE A 1 8 ? 0.722 1.282 4.310 1.00 98.53 8 A 1 ATOM 62 C CA . PHE A 1 8 ? 1.853 0.527 3.776 1.00 98.57 8 A 1 ATOM 63 C C . PHE A 1 8 ? 1.898 0.630 2.254 1.00 98.67 8 A 1 ATOM 64 O O . PHE A 1 8 ? 2.959 0.848 1.664 1.00 98.58 8 A 1 ATOM 65 C CB . PHE A 1 8 ? 1.731 -0.933 4.211 1.00 98.43 8 A 1 ATOM 66 C CG . PHE A 1 8 ? 3.051 -1.656 4.168 1.00 97.53 8 A 1 ATOM 67 C CD1 . PHE A 1 8 ? 4.022 -1.398 5.125 1.00 95.61 8 A 1 ATOM 68 C CD2 . PHE A 1 8 ? 3.306 -2.586 3.173 1.00 96.06 8 A 1 ATOM 69 C CE1 . PHE A 1 8 ? 5.241 -2.053 5.087 1.00 95.06 8 A 1 ATOM 70 C CE2 . PHE A 1 8 ? 4.530 -3.246 3.131 1.00 95.08 8 A 1 ATOM 71 C CZ . PHE A 1 8 ? 5.498 -2.980 4.086 1.00 95.02 8 A 1 ATOM 72 N N . LEU A 1 9 ? 0.742 0.479 1.631 1.00 98.45 9 A 1 ATOM 73 C CA . LEU A 1 9 ? 0.652 0.578 0.174 1.00 98.44 9 A 1 ATOM 74 C C . LEU A 1 9 ? 1.039 1.973 -0.307 1.00 98.61 9 A 1 ATOM 75 O O . LEU A 1 9 ? 1.751 2.126 -1.304 1.00 98.59 9 A 1 ATOM 76 C CB . LEU A 1 9 ? -0.777 0.247 -0.269 1.00 98.26 9 A 1 ATOM 77 C CG . LEU A 1 9 ? -0.905 -1.151 -0.864 1.00 94.24 9 A 1 ATOM 78 C CD1 . LEU A 1 9 ? -2.287 -1.728 -0.597 1.00 92.63 9 A 1 ATOM 79 C CD2 . LEU A 1 9 ? -0.639 -1.111 -2.356 1.00 93.73 9 A 1 ATOM 80 N N . ALA A 1 10 ? 0.568 2.986 0.392 1.00 98.66 10 A 1 ATOM 81 C CA . ALA A 1 10 ? 0.874 4.369 0.037 1.00 98.65 10 A 1 ATOM 82 C C . ALA A 1 10 ? 2.371 4.645 0.154 1.00 98.73 10 A 1 ATOM 83 O O . ALA A 1 10 ? 2.962 5.285 -0.718 1.00 98.54 10 A 1 ATOM 84 C CB . ALA A 1 10 ? 0.090 5.313 0.944 1.00 98.45 10 A 1 ATOM 85 N N . VAL A 1 11 ? 2.979 4.164 1.223 1.00 98.72 11 A 1 ATOM 86 C CA . VAL A 1 11 ? 4.414 4.359 1.438 1.00 98.72 11 A 1 ATOM 87 C C . VAL A 1 11 ? 5.215 3.651 0.352 1.00 98.79 11 A 1 ATOM 88 O O . VAL A 1 11 ? 6.205 4.187 -0.157 1.00 98.63 11 A 1 ATOM 89 C CB . VAL A 1 11 ? 4.828 3.843 2.826 1.00 98.52 11 A 1 ATOM 90 C CG1 . VAL A 1 11 ? 6.339 3.914 2.998 1.00 97.76 11 A 1 ATOM 91 C CG2 . VAL A 1 11 ? 4.144 4.660 3.910 1.00 97.52 11 A 1 ATOM 92 N N . LEU A 1 12 ? 4.790 2.457 0.001 1.00 98.70 12 A 1 ATOM 93 C CA . LEU A 1 12 ? 5.472 1.682 -1.033 1.00 98.65 12 A 1 ATOM 94 C C . LEU A 1 12 ? 5.406 2.403 -2.376 1.00 98.72 12 A 1 ATOM 95 O O . LEU A 1 12 ? 6.406 2.500 -3.094 1.00 98.60 12 A 1 ATOM 96 C CB . LEU A 1 12 ? 4.825 0.294 -1.136 1.00 98.52 12 A 1 ATOM 97 C CG . LEU A 1 12 ? 5.803 -0.853 -0.896 1.00 96.23 12 A 1 ATOM 98 C CD1 . LEU A 1 12 ? 5.065 -2.085 -0.385 1.00 94.51 12 A 1 ATOM 99 C CD2 . LEU A 1 12 ? 6.558 -1.189 -2.163 1.00 95.34 12 A 1 ATOM 100 N N . LEU A 1 13 ? 4.241 2.919 -2.709 1.00 98.69 13 A 1 ATOM 101 C CA . LEU A 1 13 ? 4.062 3.655 -3.958 1.00 98.67 13 A 1 ATOM 102 C C . LEU A 1 13 ? 4.938 4.903 -3.977 1.00 98.74 13 A 1 ATOM 103 O O . LEU A 1 13 ? 5.560 5.222 -4.999 1.00 98.64 13 A 1 ATOM 104 C CB . LEU A 1 13 ? 2.588 4.044 -4.119 1.00 98.56 13 A 1 ATOM 105 C CG . LEU A 1 13 ? 1.721 2.929 -4.702 1.00 95.26 13 A 1 ATOM 106 C CD1 . LEU A 1 13 ? 0.260 3.148 -4.354 1.00 93.80 13 A 1 ATOM 107 C CD2 . LEU A 1 13 ? 1.894 2.877 -6.221 1.00 95.14 13 A 1 ATOM 108 N N . LEU A 1 14 ? 4.991 5.607 -2.857 1.00 98.78 14 A 1 ATOM 109 C CA . LEU A 1 14 ? 5.809 6.811 -2.747 1.00 98.72 14 A 1 ATOM 110 C C . LEU A 1 14 ? 7.281 6.472 -2.912 1.00 98.77 14 A 1 ATOM 111 O O . LEU A 1 14 ? 8.032 7.211 -3.555 1.00 98.58 14 A 1 ATOM 112 C CB . LEU A 1 14 ? 5.563 7.478 -1.385 1.00 98.53 14 A 1 ATOM 113 C CG . LEU A 1 14 ? 4.685 8.727 -1.442 1.00 95.59 14 A 1 ATOM 114 C CD1 . LEU A 1 14 ? 5.423 9.849 -2.150 1.00 94.45 14 A 1 ATOM 115 C CD2 . LEU A 1 14 ? 3.373 8.430 -2.145 1.00 95.17 14 A 1 ATOM 116 N N . ALA A 1 15 ? 7.692 5.366 -2.333 1.00 98.81 15 A 1 ATOM 117 C CA . ALA A 1 15 ? 9.085 4.929 -2.420 1.00 98.77 15 A 1 ATOM 118 C C . ALA A 1 15 ? 9.462 4.589 -3.859 1.00 98.81 15 A 1 ATOM 119 O O . ALA A 1 15 ? 10.575 4.877 -4.300 1.00 98.44 15 A 1 ATOM 120 C CB . ALA A 1 15 ? 9.300 3.718 -1.519 1.00 98.53 15 A 1 ATOM 121 N N . VAL A 1 16 ? 8.542 3.987 -4.593 1.00 98.72 16 A 1 ATOM 122 C CA . VAL A 1 16 ? 8.790 3.619 -5.990 1.00 98.64 16 A 1 ATOM 123 C C . VAL A 1 16 ? 8.846 4.862 -6.871 1.00 98.67 16 A 1 ATOM 124 O O . VAL A 1 16 ? 9.665 4.948 -7.793 1.00 98.18 16 A 1 ATOM 125 C CB . VAL A 1 16 ? 7.698 2.660 -6.502 1.00 98.28 16 A 1 ATOM 126 C CG1 . VAL A 1 16 ? 7.900 2.355 -7.982 1.00 96.69 16 A 1 ATOM 127 C CG2 . VAL A 1 16 ? 7.716 1.362 -5.710 1.00 96.56 16 A 1 ATOM 128 N N . VAL A 1 17 ? 7.973 5.803 -6.610 1.00 98.43 17 A 1 ATOM 129 C CA . VAL A 1 17 ? 7.922 7.040 -7.387 1.00 98.24 17 A 1 ATOM 130 C C . VAL A 1 17 ? 9.097 7.951 -7.054 1.00 98.20 17 A 1 ATOM 131 O O . VAL A 1 17 ? 9.702 8.554 -7.948 1.00 97.02 17 A 1 ATOM 132 C CB . VAL A 1 17 ? 6.597 7.784 -7.137 1.00 97.57 17 A 1 ATOM 133 C CG1 . VAL A 1 17 ? 6.578 9.107 -7.890 1.00 94.58 17 A 1 ATOM 134 C CG2 . VAL A 1 17 ? 5.419 6.929 -7.574 1.00 94.33 17 A 1 ATOM 135 N N . CYS A 1 18 ? 9.402 8.065 -5.779 1.00 97.30 18 A 1 ATOM 136 C CA . CYS A 1 18 ? 10.497 8.916 -5.315 1.00 95.90 18 A 1 ATOM 137 C C . CYS A 1 18 ? 11.810 8.146 -5.349 1.00 94.10 18 A 1 ATOM 138 O O . CYS A 1 18 ? 12.771 8.642 -5.956 1.00 90.83 18 A 1 ATOM 139 C CB . CYS A 1 18 ? 10.209 9.425 -3.895 1.00 93.30 18 A 1 ATOM 140 S SG . CYS A 1 18 ? 8.866 10.629 -3.829 1.00 87.58 18 A 1 ATOM 141 O OXT . CYS A 1 18 ? 11.867 7.051 -4.750 1.00 84.92 18 A 1 #